(2R)-2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]butanoate

Systemtic Name: (2R)-2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]butanoate Openeye Name: (2R)-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]butanoate CAS Name: (2R)-2-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]butanoate IUPAC Name: (2R)-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]butanoate Traditional Name: (2R)-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]butyrate Formula: C19H22NO4- MolecularWeight: 328.38228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O

Isomeric SMILES

CC[C@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O

InChI

InChI=1S/C19H23NO4/c1-2-16(18(22)23)20-17(21)15-8-6-14(7-9-15)10-13-19(24)11-4-3-5-12-19/h6-9,16,24H,2-5,11-12H2,1H3,(H,20,21)(H,22,23)/p-1/t16-/m1/s1